CONFLIST CLD        CLDBK CLD+1 CLD05 CLD0O CLD+O CLD01 

NATOM    CLD01      79
NATOM    CLD05      79
NATOM    CLD0O      79
NATOM    CLD+O      79
NATOM    CLD+1      79
NATOM    CLDBK      20

IATOM    CLDBK  C1  0
IATOM    CLDBK  C2  1
IATOM    CLDBK  C3  2
IATOM    CLDBK  C4  3
IATOM    CLDBK  C5  4
IATOM    CLDBK  C6  5
IATOM    CLDBK  C7  6
IATOM    CLDBK  C8  7
IATOM    CLDBK  C9  8
IATOM    CLDBK  C10 9
IATOM    CLDBK  C11 10
IATOM    CLDBK  C12 11
IATOM    CLDBK  C13 12
IATOM    CLDBK  C14 13
IATOM    CLDBK  C15 14
IATOM    CLDBK  C16 15
IATOM    CLDBK  C17 16
IATOM    CLDBK  C18 17
IATOM    CLDBK  C19 18
IATOM    CLDBK  C20 19
ATOMNAME CLDBK    0  C1 
ATOMNAME CLDBK    1  C2 
ATOMNAME CLDBK    2  C3 
ATOMNAME CLDBK    3  C4 
ATOMNAME CLDBK    4  C5
ATOMNAME CLDBK    5  C6
ATOMNAME CLDBK    6  C7
ATOMNAME CLDBK    7  C8
ATOMNAME CLDBK    8  C9
ATOMNAME CLDBK    9  C10
ATOMNAME CLDBK   10  C11
ATOMNAME CLDBK   11  C12
ATOMNAME CLDBK   12  C13
ATOMNAME CLDBK   13  C14
ATOMNAME CLDBK   14  C15
ATOMNAME CLDBK   15  C16
ATOMNAME CLDBK   16  C17
ATOMNAME CLDBK   17  C18
ATOMNAME CLDBK   18  C19
ATOMNAME CLDBK   19  C20

IATOM    CLD01 MG   0
IATOM    CLD01  CHA 1
IATOM    CLD01  CHB 2
IATOM    CLD01  CHC 3
IATOM    CLD01  CHD 4
IATOM    CLD01  HHB 5
IATOM    CLD01  HHC 6
IATOM    CLD01  HHD 7
IATOM    CLD01  N A 8
IATOM    CLD01  C1A 9
IATOM    CLD01  C2A 10
IATOM    CLD01  C3A 11
IATOM    CLD01  C4A 12
IATOM    CLD01  CMA 13
IATOM    CLD01  CAA 14
IATOM    CLD01  CBA 15
IATOM    CLD01  CGA 16
IATOM    CLD01  O1A 17
IATOM    CLD01  O2A 18
IATOM    CLD01 1HMA 19
IATOM    CLD01 2HMA 20
IATOM    CLD01 3HMA 21
IATOM    CLD01  H2A 22
IATOM    CLD01  H3A 23
IATOM    CLD01 1HAA 24
IATOM    CLD01 2HAA 25
IATOM    CLD01 1HBA 26
IATOM    CLD01 2HBA 27
IATOM    CLD01  N B 28
IATOM    CLD01  C1B 29
IATOM    CLD01  C2B 30
IATOM    CLD01  C3B 31
IATOM    CLD01  C4B 32
IATOM    CLD01  CMB 33
IATOM    CLD01  CAB 34
IATOM    CLD01  CBB 35
IATOM    CLD01  HAB 36
IATOM    CLD01 1HMB 37
IATOM    CLD01 2HMB 38
IATOM    CLD01 3HMB 39
IATOM    CLD01 1HBB 40
IATOM    CLD01 2HBB 41
IATOM    CLD01  N C 42
IATOM    CLD01  C1C 43
IATOM    CLD01  C2C 44
IATOM    CLD01  C3C 45
IATOM    CLD01  C4C 46
IATOM    CLD01  CMC 47
IATOM    CLD01  CAC 48
IATOM    CLD01  CBC 49
IATOM    CLD01 1HMC 50
IATOM    CLD01 2HMC 51
IATOM    CLD01 3HMC 52
IATOM    CLD01 1HAC 53
IATOM    CLD01  H2C 54
IATOM    CLD01 1HBC 55
IATOM    CLD01 2HBC 56
IATOM    CLD01 3HBC 57
IATOM    CLD01 2HAC 58
IATOM    CLD01  N D 59
IATOM    CLD01  C1D 60
IATOM    CLD01  C2D 61
IATOM    CLD01  C3D 62
IATOM    CLD01  C4D 63
IATOM    CLD01  CMD 64
IATOM    CLD01  CAD 65
IATOM    CLD01  OBD 66
IATOM    CLD01  CBD 67
IATOM    CLD01  CGD 68
IATOM    CLD01  O1D 69
IATOM    CLD01  O2D 70
IATOM    CLD01  CED 71
IATOM    CLD01 1HMD 72
IATOM    CLD01 2HMD 73
IATOM    CLD01 3HMD 74
IATOM    CLD01  HBD 75
IATOM    CLD01 1HED 76
IATOM    CLD01 2HED 77
IATOM    CLD01 3HED 78
IATOM    CLD05 MG   0
IATOM    CLD05  CHA 1
IATOM    CLD05  CHB 2
IATOM    CLD05  CHC 3
IATOM    CLD05  CHD 4
IATOM    CLD05  HHB 5
IATOM    CLD05  HHC 6
IATOM    CLD05  HHD 7
IATOM    CLD05  N A 8
IATOM    CLD05  C1A 9
IATOM    CLD05  C2A 10
IATOM    CLD05  C3A 11
IATOM    CLD05  C4A 12
IATOM    CLD05  CMA 13
IATOM    CLD05  CAA 14
IATOM    CLD05  CBA 15
IATOM    CLD05  CGA 16
IATOM    CLD05  O1A 17
IATOM    CLD05  O2A 18
IATOM    CLD05 1HMA 19
IATOM    CLD05 2HMA 20
IATOM    CLD05 3HMA 21
IATOM    CLD05  H2A 22
IATOM    CLD05  H3A 23
IATOM    CLD05 1HAA 24
IATOM    CLD05 2HAA 25
IATOM    CLD05 1HBA 26
IATOM    CLD05 2HBA 27
IATOM    CLD05  N B 28
IATOM    CLD05  C1B 29
IATOM    CLD05  C2B 30
IATOM    CLD05  C3B 31
IATOM    CLD05  C4B 32
IATOM    CLD05  CMB 33
IATOM    CLD05  CAB 34
IATOM    CLD05  CBB 35
IATOM    CLD05  HAB 36
IATOM    CLD05 1HMB 37
IATOM    CLD05 2HMB 38
IATOM    CLD05 3HMB 39
IATOM    CLD05 1HBB 40
IATOM    CLD05 2HBB 41
IATOM    CLD05 2HAC 42
IATOM    CLD05  N C 43
IATOM    CLD05  C1C 44
IATOM    CLD05  C2C 45
IATOM    CLD05  C3C 46
IATOM    CLD05  C4C 47
IATOM    CLD05  CMC 48
IATOM    CLD05  CAC 49
IATOM    CLD05  CBC 50
IATOM    CLD05 1HMC 51
IATOM    CLD05 2HMC 52
IATOM    CLD05 3HMC 53
IATOM    CLD05 1HAC 54
IATOM    CLD05  H2C 55
IATOM    CLD05 1HBC 56
IATOM    CLD05 2HBC 57
IATOM    CLD05 3HBC 58
IATOM    CLD05  N D 59
IATOM    CLD05  C1D 60
IATOM    CLD05  C2D 61
IATOM    CLD05  C3D 62
IATOM    CLD05  C4D 63
IATOM    CLD05  CMD 64
IATOM    CLD05  CAD 65
IATOM    CLD05  OBD 66
IATOM    CLD05  CBD 67
IATOM    CLD05  CGD 68
IATOM    CLD05  O1D 69
IATOM    CLD05  O2D 70
IATOM    CLD05  CED 71
IATOM    CLD05 1HMD 72
IATOM    CLD05 2HMD 73
IATOM    CLD05 3HMD 74
IATOM    CLD05  HBD 75
IATOM    CLD05 1HED 76
IATOM    CLD05 2HED 77
IATOM    CLD05 3HED 78
IATOM    CLD0O MG   0
IATOM    CLD0O  CHA 1
IATOM    CLD0O  CHB 2
IATOM    CLD0O  CHC 3
IATOM    CLD0O  CHD 4
IATOM    CLD0O  HHB 5
IATOM    CLD0O  HHC 6
IATOM    CLD0O  HHD 7
IATOM    CLD0O  N A 8
IATOM    CLD0O  C1A 9
IATOM    CLD0O  C2A 10
IATOM    CLD0O  C3A 11
IATOM    CLD0O  C4A 12
IATOM    CLD0O  CMA 13
IATOM    CLD0O  CAA 14
IATOM    CLD0O  CBA 15
IATOM    CLD0O  CGA 16
IATOM    CLD0O  O1A 17
IATOM    CLD0O  O2A 18
IATOM    CLD0O 1HMA 19
IATOM    CLD0O 2HMA 20
IATOM    CLD0O 3HMA 21
IATOM    CLD0O  H2A 22
IATOM    CLD0O  H3A 23
IATOM    CLD0O 1HAA 24
IATOM    CLD0O 2HAA 25
IATOM    CLD0O 1HBA 26
IATOM    CLD0O 2HBA 27
IATOM    CLD0O  N B 28
IATOM    CLD0O  C1B 29
IATOM    CLD0O  C2B 30
IATOM    CLD0O  C3B 31
IATOM    CLD0O  C4B 32
IATOM    CLD0O  CMB 33
IATOM    CLD0O  CAB 34
IATOM    CLD0O  CBB 35
IATOM    CLD0O  HAB 36
IATOM    CLD0O 1HMB 37
IATOM    CLD0O 2HMB 38
IATOM    CLD0O 3HMB 39
IATOM    CLD0O 1HBB 40
IATOM    CLD0O 2HBB 41
IATOM    CLD0O  N C 42
IATOM    CLD0O  C1C 43
IATOM    CLD0O  C2C 44
IATOM    CLD0O  C3C 45
IATOM    CLD0O  C4C 46
IATOM    CLD0O  CMC 47
IATOM    CLD0O  CAC 48
IATOM    CLD0O  CBC 49
IATOM    CLD0O 1HMC 50
IATOM    CLD0O 2HMC 51
IATOM    CLD0O 3HMC 52
IATOM    CLD0O 1HAC 53
IATOM    CLD0O  H2C 54
IATOM    CLD0O 1HBC 55
IATOM    CLD0O 2HBC 56
IATOM    CLD0O 3HBC 57
IATOM    CLD0O 2HAC 58
IATOM    CLD0O  N D 59
IATOM    CLD0O  C1D 60
IATOM    CLD0O  C2D 61
IATOM    CLD0O  C3D 62
IATOM    CLD0O  C4D 63
IATOM    CLD0O  CMD 64
IATOM    CLD0O  CAD 65
IATOM    CLD0O  OBD 66
IATOM    CLD0O  CBD 67
IATOM    CLD0O  CGD 68
IATOM    CLD0O  O1D 69
IATOM    CLD0O  O2D 70
IATOM    CLD0O  CED 71
IATOM    CLD0O 1HMD 72
IATOM    CLD0O 2HMD 73
IATOM    CLD0O 3HMD 74
IATOM    CLD0O  HBD 75
IATOM    CLD0O 1HED 76
IATOM    CLD0O 2HED 77
IATOM    CLD0O 3HED 78
IATOM    CLD+O MG   0
IATOM    CLD+O  CHA 1
IATOM    CLD+O  CHB 2
IATOM    CLD+O  CHC 3
IATOM    CLD+O  CHD 4
IATOM    CLD+O  HHB 5
IATOM    CLD+O  HHC 6
IATOM    CLD+O  HHD 7
IATOM    CLD+O  N A 8
IATOM    CLD+O  C1A 9
IATOM    CLD+O  C2A 10
IATOM    CLD+O  C3A 11
IATOM    CLD+O  C4A 12
IATOM    CLD+O  CMA 13
IATOM    CLD+O  CAA 14
IATOM    CLD+O  CBA 15
IATOM    CLD+O  CGA 16
IATOM    CLD+O  O1A 17
IATOM    CLD+O  O2A 18
IATOM    CLD+O 1HMA 19
IATOM    CLD+O 2HMA 20
IATOM    CLD+O 3HMA 21
IATOM    CLD+O  H2A 22
IATOM    CLD+O  H3A 23
IATOM    CLD+O 1HAA 24
IATOM    CLD+O 2HAA 25
IATOM    CLD+O 1HBA 26
IATOM    CLD+O 2HBA 27
IATOM    CLD+O  N B 28
IATOM    CLD+O  C1B 29
IATOM    CLD+O  C2B 30
IATOM    CLD+O  C3B 31
IATOM    CLD+O  C4B 32
IATOM    CLD+O  CMB 33
IATOM    CLD+O  CAB 34
IATOM    CLD+O  CBB 35
IATOM    CLD+O  HAB 36
IATOM    CLD+O 1HMB 37
IATOM    CLD+O 2HMB 38
IATOM    CLD+O 3HMB 39
IATOM    CLD+O 1HBB 40
IATOM    CLD+O 2HBB 41
IATOM    CLD+O 2HAC 42
IATOM    CLD+O  N C 43
IATOM    CLD+O  C1C 44
IATOM    CLD+O  C2C 45
IATOM    CLD+O  C3C 46
IATOM    CLD+O  C4C 47
IATOM    CLD+O  CMC 48
IATOM    CLD+O  CAC 49
IATOM    CLD+O  CBC 50
IATOM    CLD+O 1HMC 51
IATOM    CLD+O 2HMC 52
IATOM    CLD+O 3HMC 53
IATOM    CLD+O 1HAC 54
IATOM    CLD+O  H2C 55
IATOM    CLD+O 1HBC 56
IATOM    CLD+O 2HBC 57
IATOM    CLD+O 3HBC 58
IATOM    CLD+O  N D 59
IATOM    CLD+O  C1D 60
IATOM    CLD+O  C2D 61
IATOM    CLD+O  C3D 62
IATOM    CLD+O  C4D 63
IATOM    CLD+O  CMD 64
IATOM    CLD+O  CAD 65
IATOM    CLD+O  OBD 66
IATOM    CLD+O  CBD 67
IATOM    CLD+O  CGD 68
IATOM    CLD+O  O1D 69
IATOM    CLD+O  O2D 70
IATOM    CLD+O  CED 71
IATOM    CLD+O 1HMD 72
IATOM    CLD+O 2HMD 73
IATOM    CLD+O 3HMD 74
IATOM    CLD+O  HBD 75
IATOM    CLD+O 1HED 76
IATOM    CLD+O 2HED 77
IATOM    CLD+O 3HED 78
IATOM    CLD+1 MG   0
IATOM    CLD+1  CHA 1
IATOM    CLD+1  CHB 2
IATOM    CLD+1  CHC 3
IATOM    CLD+1  CHD 4
IATOM    CLD+1  HHB 5
IATOM    CLD+1  HHC 6
IATOM    CLD+1  HHD 7
IATOM    CLD+1  N A 8
IATOM    CLD+1  C1A 9
IATOM    CLD+1  C2A 10
IATOM    CLD+1  C3A 11
IATOM    CLD+1  C4A 12
IATOM    CLD+1  CMA 13
IATOM    CLD+1  CAA 14
IATOM    CLD+1  CBA 15
IATOM    CLD+1  CGA 16
IATOM    CLD+1  O1A 17
IATOM    CLD+1  O2A 18
IATOM    CLD+1 1HMA 19
IATOM    CLD+1 2HMA 20
IATOM    CLD+1 3HMA 21
IATOM    CLD+1  H2A 22
IATOM    CLD+1  H3A 23
IATOM    CLD+1 1HAA 24
IATOM    CLD+1 2HAA 25
IATOM    CLD+1 1HBA 26
IATOM    CLD+1 2HBA 27
IATOM    CLD+1  N B 28
IATOM    CLD+1  C1B 29
IATOM    CLD+1  C2B 30
IATOM    CLD+1  C3B 31
IATOM    CLD+1  C4B 32
IATOM    CLD+1  CMB 33
IATOM    CLD+1  CAB 34
IATOM    CLD+1  CBB 35
IATOM    CLD+1  HAB 36
IATOM    CLD+1 1HMB 37
IATOM    CLD+1 2HMB 38
IATOM    CLD+1 3HMB 39
IATOM    CLD+1 1HBB 40
IATOM    CLD+1 2HBB 41
IATOM    CLD+1 2HAC 42
IATOM    CLD+1  N C 43
IATOM    CLD+1  C1C 44
IATOM    CLD+1  C2C 45
IATOM    CLD+1  C3C 46
IATOM    CLD+1  C4C 47
IATOM    CLD+1  CMC 48
IATOM    CLD+1  CAC 49
IATOM    CLD+1  CBC 50
IATOM    CLD+1 1HMC 51
IATOM    CLD+1 2HMC 52
IATOM    CLD+1 3HMC 53
IATOM    CLD+1 1HAC 54
IATOM    CLD+1  H2C 55
IATOM    CLD+1 1HBC 56
IATOM    CLD+1 2HBC 57
IATOM    CLD+1 3HBC 58
IATOM    CLD+1  N D 59
IATOM    CLD+1  C1D 60
IATOM    CLD+1  C2D 61
IATOM    CLD+1  C3D 62
IATOM    CLD+1  C4D 63
IATOM    CLD+1  CMD 64
IATOM    CLD+1  CAD 65
IATOM    CLD+1  OBD 66
IATOM    CLD+1  CBD 67
IATOM    CLD+1  CGD 68
IATOM    CLD+1  O1D 69
IATOM    CLD+1  O2D 70
IATOM    CLD+1  CED 71
IATOM    CLD+1 1HMD 72
IATOM    CLD+1 2HMD 73
IATOM    CLD+1 3HMD 74
IATOM    CLD+1  HBD 75
IATOM    CLD+1 1HED 76
IATOM    CLD+1 2HED 77
IATOM    CLD+1 3HED 78

ATOMNAME CLD01    0 MG  
ATOMNAME CLD01    1  CHA
ATOMNAME CLD01    2  CHB
ATOMNAME CLD01    3  CHC
ATOMNAME CLD01    4  CHD
ATOMNAME CLD01    5  HHB
ATOMNAME CLD01    6  HHC
ATOMNAME CLD01    7  HHD
ATOMNAME CLD01    8  N A
ATOMNAME CLD01    9  C1A
ATOMNAME CLD01   10  C2A
ATOMNAME CLD01   11  C3A
ATOMNAME CLD01   12  C4A
ATOMNAME CLD01   13  CMA
ATOMNAME CLD01   14  CAA
ATOMNAME CLD01   15  CBA
ATOMNAME CLD01   16  CGA
ATOMNAME CLD01   17  O1A
ATOMNAME CLD01   18  O2A
ATOMNAME CLD01   19 1HMA
ATOMNAME CLD01   20 2HMA
ATOMNAME CLD01   21 3HMA
ATOMNAME CLD01   22  H2A
ATOMNAME CLD01   23  H3A
ATOMNAME CLD01   24 1HAA
ATOMNAME CLD01   25 2HAA
ATOMNAME CLD01   26 1HBA
ATOMNAME CLD01   27 2HBA
ATOMNAME CLD01   28  N B
ATOMNAME CLD01   29  C1B
ATOMNAME CLD01   30  C2B
ATOMNAME CLD01   31  C3B
ATOMNAME CLD01   32  C4B
ATOMNAME CLD01   33  CMB
ATOMNAME CLD01   34  CAB
ATOMNAME CLD01   35  CBB
ATOMNAME CLD01   36  HAB
ATOMNAME CLD01   37 1HMB
ATOMNAME CLD01   38 2HMB
ATOMNAME CLD01   39 3HMB
ATOMNAME CLD01   40 1HBB
ATOMNAME CLD01   41 2HBB
ATOMNAME CLD01   42  N C
ATOMNAME CLD01   43  C1C
ATOMNAME CLD01   44  C2C
ATOMNAME CLD01   45  C3C
ATOMNAME CLD01   46  C4C
ATOMNAME CLD01   47  CMC
ATOMNAME CLD01   48  CAC
ATOMNAME CLD01   49  CBC
ATOMNAME CLD01   50 1HMC
ATOMNAME CLD01   51 2HMC
ATOMNAME CLD01   52 3HMC
ATOMNAME CLD01   53 1HAC
ATOMNAME CLD01   54  H2C
ATOMNAME CLD01   55 1HBC
ATOMNAME CLD01   56 2HBC
ATOMNAME CLD01   57 3HBC
ATOMNAME CLD01   58 2HAC
ATOMNAME CLD01   59  N D
ATOMNAME CLD01   60  C1D
ATOMNAME CLD01   61  C2D
ATOMNAME CLD01   62  C3D
ATOMNAME CLD01   63  C4D
ATOMNAME CLD01   64  CMD
ATOMNAME CLD01   65  CAD
ATOMNAME CLD01   66  OBD
ATOMNAME CLD01   67  CBD
ATOMNAME CLD01   68  CGD
ATOMNAME CLD01   69  O1D
ATOMNAME CLD01   70  O2D
ATOMNAME CLD01   71  CED
ATOMNAME CLD01   72 1HMD
ATOMNAME CLD01   73 2HMD
ATOMNAME CLD01   74 3HMD
ATOMNAME CLD01   75  HBD
ATOMNAME CLD01   76 1HED
ATOMNAME CLD01   77 2HED
ATOMNAME CLD01   78 3HED
ATOMNAME CLD05    0 MG  
ATOMNAME CLD05    1  CHA
ATOMNAME CLD05    2  CHB
ATOMNAME CLD05    3  CHC
ATOMNAME CLD05    4  CHD
ATOMNAME CLD05    5  HHB
ATOMNAME CLD05    6  HHC
ATOMNAME CLD05    7  HHD
ATOMNAME CLD05    8  N A
ATOMNAME CLD05    9  C1A
ATOMNAME CLD05   10  C2A
ATOMNAME CLD05   11  C3A
ATOMNAME CLD05   12  C4A
ATOMNAME CLD05   13  CMA
ATOMNAME CLD05   14  CAA
ATOMNAME CLD05   15  CBA
ATOMNAME CLD05   16  CGA
ATOMNAME CLD05   17  O1A
ATOMNAME CLD05   18  O2A
ATOMNAME CLD05   19 1HMA
ATOMNAME CLD05   20 2HMA
ATOMNAME CLD05   21 3HMA
ATOMNAME CLD05   22  H2A
ATOMNAME CLD05   23  H3A
ATOMNAME CLD05   24 1HAA
ATOMNAME CLD05   25 2HAA
ATOMNAME CLD05   26 1HBA
ATOMNAME CLD05   27 2HBA
ATOMNAME CLD05   28  N B
ATOMNAME CLD05   29  C1B
ATOMNAME CLD05   30  C2B
ATOMNAME CLD05   31  C3B
ATOMNAME CLD05   32  C4B
ATOMNAME CLD05   33  CMB
ATOMNAME CLD05   34  CAB
ATOMNAME CLD05   35  CBB
ATOMNAME CLD05   36  HAB
ATOMNAME CLD05   37 1HMB
ATOMNAME CLD05   38 2HMB
ATOMNAME CLD05   39 3HMB
ATOMNAME CLD05   40 1HBB
ATOMNAME CLD05   41 2HBB
ATOMNAME CLD05   42 2HAC
ATOMNAME CLD05   43  N C
ATOMNAME CLD05   44  C1C
ATOMNAME CLD05   45  C2C
ATOMNAME CLD05   46  C3C
ATOMNAME CLD05   47  C4C
ATOMNAME CLD05   48  CMC
ATOMNAME CLD05   49  CAC
ATOMNAME CLD05   50  CBC
ATOMNAME CLD05   51 1HMC
ATOMNAME CLD05   52 2HMC
ATOMNAME CLD05   53 3HMC
ATOMNAME CLD05   54 1HAC
ATOMNAME CLD05   55  H2C
ATOMNAME CLD05   56 1HBC
ATOMNAME CLD05   57 2HBC
ATOMNAME CLD05   58 3HBC
ATOMNAME CLD05   59  N D
ATOMNAME CLD05   60  C1D
ATOMNAME CLD05   61  C2D
ATOMNAME CLD05   62  C3D
ATOMNAME CLD05   63  C4D
ATOMNAME CLD05   64  CMD
ATOMNAME CLD05   65  CAD
ATOMNAME CLD05   66  OBD
ATOMNAME CLD05   67  CBD
ATOMNAME CLD05   68  CGD
ATOMNAME CLD05   69  O1D
ATOMNAME CLD05   70  O2D
ATOMNAME CLD05   71  CED
ATOMNAME CLD05   72 1HMD
ATOMNAME CLD05   73 2HMD
ATOMNAME CLD05   74 3HMD
ATOMNAME CLD05   75  HBD
ATOMNAME CLD05   76 1HED
ATOMNAME CLD05   77 2HED
ATOMNAME CLD05   78 3HED
ATOMNAME CLD0O    0 MG  
ATOMNAME CLD0O    1  CHA
ATOMNAME CLD0O    2  CHB
ATOMNAME CLD0O    3  CHC
ATOMNAME CLD0O    4  CHD
ATOMNAME CLD0O    5  HHB
ATOMNAME CLD0O    6  HHC
ATOMNAME CLD0O    7  HHD
ATOMNAME CLD0O    8  N A
ATOMNAME CLD0O    9  C1A
ATOMNAME CLD0O   10  C2A
ATOMNAME CLD0O   11  C3A
ATOMNAME CLD0O   12  C4A
ATOMNAME CLD0O   13  CMA
ATOMNAME CLD0O   14  CAA
ATOMNAME CLD0O   15  CBA
ATOMNAME CLD0O   16  CGA
ATOMNAME CLD0O   17  O1A
ATOMNAME CLD0O   18  O2A
ATOMNAME CLD0O   19 1HMA
ATOMNAME CLD0O   20 2HMA
ATOMNAME CLD0O   21 3HMA
ATOMNAME CLD0O   22  H2A
ATOMNAME CLD0O   23  H3A
ATOMNAME CLD0O   24 1HAA
ATOMNAME CLD0O   25 2HAA
ATOMNAME CLD0O   26 1HBA
ATOMNAME CLD0O   27 2HBA
ATOMNAME CLD0O   28  N B
ATOMNAME CLD0O   29  C1B
ATOMNAME CLD0O   30  C2B
ATOMNAME CLD0O   31  C3B
ATOMNAME CLD0O   32  C4B
ATOMNAME CLD0O   33  CMB
ATOMNAME CLD0O   34  CAB
ATOMNAME CLD0O   35  CBB
ATOMNAME CLD0O   36  HAB
ATOMNAME CLD0O   37 1HMB
ATOMNAME CLD0O   38 2HMB
ATOMNAME CLD0O   39 3HMB
ATOMNAME CLD0O   40 1HBB
ATOMNAME CLD0O   41 2HBB
ATOMNAME CLD0O   42  N C
ATOMNAME CLD0O   43  C1C
ATOMNAME CLD0O   44  C2C
ATOMNAME CLD0O   45  C3C
ATOMNAME CLD0O   46  C4C
ATOMNAME CLD0O   47  CMC
ATOMNAME CLD0O   48  CAC
ATOMNAME CLD0O   49  CBC
ATOMNAME CLD0O   50 1HMC
ATOMNAME CLD0O   51 2HMC
ATOMNAME CLD0O   52 3HMC
ATOMNAME CLD0O   53 1HAC
ATOMNAME CLD0O   54  H2C
ATOMNAME CLD0O   55 1HBC
ATOMNAME CLD0O   56 2HBC
ATOMNAME CLD0O   57 3HBC
ATOMNAME CLD0O   58 2HAC
ATOMNAME CLD0O   59  N D
ATOMNAME CLD0O   60  C1D
ATOMNAME CLD0O   61  C2D
ATOMNAME CLD0O   62  C3D
ATOMNAME CLD0O   63  C4D
ATOMNAME CLD0O   64  CMD
ATOMNAME CLD0O   65  CAD
ATOMNAME CLD0O   66  OBD
ATOMNAME CLD0O   67  CBD
ATOMNAME CLD0O   68  CGD
ATOMNAME CLD0O   69  O1D
ATOMNAME CLD0O   70  O2D
ATOMNAME CLD0O   71  CED
ATOMNAME CLD0O   72 1HMD
ATOMNAME CLD0O   73 2HMD
ATOMNAME CLD0O   74 3HMD
ATOMNAME CLD0O   75  HBD
ATOMNAME CLD0O   76 1HED
ATOMNAME CLD0O   77 2HED
ATOMNAME CLD0O   78 3HED
ATOMNAME CLD+O    0 MG  
ATOMNAME CLD+O    1  CHA
ATOMNAME CLD+O    2  CHB
ATOMNAME CLD+O    3  CHC
ATOMNAME CLD+O    4  CHD
ATOMNAME CLD+O    5  HHB
ATOMNAME CLD+O    6  HHC
ATOMNAME CLD+O    7  HHD
ATOMNAME CLD+O    8  N A
ATOMNAME CLD+O    9  C1A
ATOMNAME CLD+O   10  C2A
ATOMNAME CLD+O   11  C3A
ATOMNAME CLD+O   12  C4A
ATOMNAME CLD+O   13  CMA
ATOMNAME CLD+O   14  CAA
ATOMNAME CLD+O   15  CBA
ATOMNAME CLD+O   16  CGA
ATOMNAME CLD+O   17  O1A
ATOMNAME CLD+O   18  O2A
ATOMNAME CLD+O   19 1HMA
ATOMNAME CLD+O   20 2HMA
ATOMNAME CLD+O   21 3HMA
ATOMNAME CLD+O   22  H2A
ATOMNAME CLD+O   23  H3A
ATOMNAME CLD+O   24 1HAA
ATOMNAME CLD+O   25 2HAA
ATOMNAME CLD+O   26 1HBA
ATOMNAME CLD+O   27 2HBA
ATOMNAME CLD+O   28  N B
ATOMNAME CLD+O   29  C1B
ATOMNAME CLD+O   30  C2B
ATOMNAME CLD+O   31  C3B
ATOMNAME CLD+O   32  C4B
ATOMNAME CLD+O   33  CMB
ATOMNAME CLD+O   34  CAB
ATOMNAME CLD+O   35  CBB
ATOMNAME CLD+O   36  HAB
ATOMNAME CLD+O   37 1HMB
ATOMNAME CLD+O   38 2HMB
ATOMNAME CLD+O   39 3HMB
ATOMNAME CLD+O   40 1HBB
ATOMNAME CLD+O   41 2HBB
ATOMNAME CLD+O   42 2HAC
ATOMNAME CLD+O   43  N C
ATOMNAME CLD+O   44  C1C
ATOMNAME CLD+O   45  C2C
ATOMNAME CLD+O   46  C3C
ATOMNAME CLD+O   47  C4C
ATOMNAME CLD+O   48  CMC
ATOMNAME CLD+O   49  CAC
ATOMNAME CLD+O   50  CBC
ATOMNAME CLD+O   51 1HMC
ATOMNAME CLD+O   52 2HMC
ATOMNAME CLD+O   53 3HMC
ATOMNAME CLD+O   54 1HAC
ATOMNAME CLD+O   55  H2C
ATOMNAME CLD+O   56 1HBC
ATOMNAME CLD+O   57 2HBC
ATOMNAME CLD+O   58 3HBC
ATOMNAME CLD+O   59  N D
ATOMNAME CLD+O   60  C1D
ATOMNAME CLD+O   61  C2D
ATOMNAME CLD+O   62  C3D
ATOMNAME CLD+O   63  C4D
ATOMNAME CLD+O   64  CMD
ATOMNAME CLD+O   65  CAD
ATOMNAME CLD+O   66  OBD
ATOMNAME CLD+O   67  CBD
ATOMNAME CLD+O   68  CGD
ATOMNAME CLD+O   69  O1D
ATOMNAME CLD+O   70  O2D
ATOMNAME CLD+O   71  CED
ATOMNAME CLD+O   72 1HMD
ATOMNAME CLD+O   73 2HMD
ATOMNAME CLD+O   74 3HMD
ATOMNAME CLD+O   75  HBD
ATOMNAME CLD+O   76 1HED
ATOMNAME CLD+O   77 2HED
ATOMNAME CLD+O   78 3HED
ATOMNAME CLD+1    0 MG  
ATOMNAME CLD+1    1  CHA
ATOMNAME CLD+1    2  CHB
ATOMNAME CLD+1    3  CHC
ATOMNAME CLD+1    4  CHD
ATOMNAME CLD+1    5  HHB
ATOMNAME CLD+1    6  HHC
ATOMNAME CLD+1    7  HHD
ATOMNAME CLD+1    8  N A
ATOMNAME CLD+1    9  C1A
ATOMNAME CLD+1   10  C2A
ATOMNAME CLD+1   11  C3A
ATOMNAME CLD+1   12  C4A
ATOMNAME CLD+1   13  CMA
ATOMNAME CLD+1   14  CAA
ATOMNAME CLD+1   15  CBA
ATOMNAME CLD+1   16  CGA
ATOMNAME CLD+1   17  O1A
ATOMNAME CLD+1   18  O2A
ATOMNAME CLD+1   19 1HMA
ATOMNAME CLD+1   20 2HMA
ATOMNAME CLD+1   21 3HMA
ATOMNAME CLD+1   22  H2A
ATOMNAME CLD+1   23  H3A
ATOMNAME CLD+1   24 1HAA
ATOMNAME CLD+1   25 2HAA
ATOMNAME CLD+1   26 1HBA
ATOMNAME CLD+1   27 2HBA
ATOMNAME CLD+1   28  N B
ATOMNAME CLD+1   29  C1B
ATOMNAME CLD+1   30  C2B
ATOMNAME CLD+1   31  C3B
ATOMNAME CLD+1   32  C4B
ATOMNAME CLD+1   33  CMB
ATOMNAME CLD+1   34  CAB
ATOMNAME CLD+1   35  CBB
ATOMNAME CLD+1   36  HAB
ATOMNAME CLD+1   37 1HMB
ATOMNAME CLD+1   38 2HMB
ATOMNAME CLD+1   39 3HMB
ATOMNAME CLD+1   40 1HBB
ATOMNAME CLD+1   41 2HBB
ATOMNAME CLD+1   42 2HAC
ATOMNAME CLD+1   43  N C
ATOMNAME CLD+1   44  C1C
ATOMNAME CLD+1   45  C2C
ATOMNAME CLD+1   46  C3C
ATOMNAME CLD+1   47  C4C
ATOMNAME CLD+1   48  CMC
ATOMNAME CLD+1   49  CAC
ATOMNAME CLD+1   50  CBC
ATOMNAME CLD+1   51 1HMC
ATOMNAME CLD+1   52 2HMC
ATOMNAME CLD+1   53 3HMC
ATOMNAME CLD+1   54 1HAC
ATOMNAME CLD+1   55  H2C
ATOMNAME CLD+1   56 1HBC
ATOMNAME CLD+1   57 2HBC
ATOMNAME CLD+1   58 3HBC
ATOMNAME CLD+1   59  N D
ATOMNAME CLD+1   60  C1D
ATOMNAME CLD+1   61  C2D
ATOMNAME CLD+1   62  C3D
ATOMNAME CLD+1   63  C4D
ATOMNAME CLD+1   64  CMD
ATOMNAME CLD+1   65  CAD
ATOMNAME CLD+1   66  OBD
ATOMNAME CLD+1   67  CBD
ATOMNAME CLD+1   68  CGD
ATOMNAME CLD+1   69  O1D
ATOMNAME CLD+1   70  O2D
ATOMNAME CLD+1   71  CED
ATOMNAME CLD+1   72 1HMD
ATOMNAME CLD+1   73 2HMD
ATOMNAME CLD+1   74 3HMD
ATOMNAME CLD+1   75  HBD
ATOMNAME CLD+1   76 1HED
ATOMNAME CLD+1   77 2HED
ATOMNAME CLD+1   78 3HED












#1.Basic Conformer Informatsp3: name, pka, em, rxn.
#23456789A123456789B123456789C
PROTON   CLD01      0
PROTON   CLD05      0
PKA      CLD01      0.0
PKA      CLD05      0.0
ELECTRON CLD01      0
ELECTRON CLD05      -1
EM       CLD01      0.0
EM       CLD05      500
RXN      CLD01      -8.962
RXN      CLD05      -10.856

PROTON   CLD+1      0
PKA      CLD+1      0.0
ELECTRON CLD+1      -1
EM       CLD+1      500
RXN      CLD+1      -16.440

PROTON   CLD0O      0
PROTON   CLD+O      0
PKA      CLD0O      0.0
PKA      CLD+O      0.0
ELECTRON CLD0O      0
ELECTRON CLD+O      -1
EM       CLD0O      000.0
EM       CLD+O      500
RXN      CLD0O      -8.955
RXN      CLD+O      -5.343

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  CLDBK  C1  ion       0     O2A 0     C2 
CONNECT  CLDBK  C2  ion       0     C1  0     C3 
CONNECT  CLDBK  C3  ion       0     C2  0     C4  0     C5 
CONNECT  CLDBK  C4  ion       0     C3 
CONNECT  CLDBK  C5  ion       0     C3 

#CL101----------------------------------------------------------------
CONNECT  CLD01 MG   ion       0     N A 0     N B 0     N C 0     N D
CONNECT  CLD01  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  CLD01  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  CLD01  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  CLD01  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  CLD01  HHB s         0     CHB
CONNECT  CLD01  HHC s         0     CHC
CONNECT  CLD01  HHD s         0     CHD

#Group N A
CONNECT  CLD01  N A sp2       0    MG   0     C1A 0     C4A
CONNECT  CLD01  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  CLD01  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  CLD01  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  CLD01  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  CLD01  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  CLD01  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  CLD01  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  CLD01  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  CLD01  O1A s         0     CGA 
CONNECT  CLD01  O2A sp3       0     CGA 0     C1 

CONNECT  CLD01 1HMA s         0     CMA
CONNECT  CLD01 2HMA s         0     CMA
CONNECT  CLD01 3HMA s         0     CMA
CONNECT  CLD01  H2A s         0     C2A
CONNECT  CLD01  H3A s         0     C3A
CONNECT  CLD01 1HAA s         0     CAA
CONNECT  CLD01 2HAA s         0     CAA
CONNECT  CLD01 1HBA s         0     CBA
CONNECT  CLD01 2HBA s         0     CBA

#Group N B
CONNECT  CLD01  N B sp2       0    MG   0     C1B 0     C4B
CONNECT  CLD01  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  CLD01  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  CLD01  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  CLD01  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  CLD01  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  CLD01  CAB sp2       0     C3B 0     CBB 0     HAB
CONNECT  CLD01  CBB sp2       0     CAB 0    1HBB 0    2HBB
CONNECT  CLD01  HAB s         0     CAB

CONNECT  CLD01 1HMB s         0     CMB
CONNECT  CLD01 2HMB s         0     CMB
CONNECT  CLD01 3HMB s         0     CMB
CONNECT  CLD01 1HBB s         0     CBB
CONNECT  CLD01 2HBB s         0     CBB

#Group N C
CONNECT  CLD01  N C sp2       0    MG   0     C1C 0     C4C
CONNECT  CLD01  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  CLD01  C2C sp3       0     C1C 0     CMC 0     C3C 0     H2C
CONNECT  CLD01  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  CLD01  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  CLD01  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  CLD01  CAC sp3       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  CLD01  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC

CONNECT  CLD01 1HMC s         0     CMC
CONNECT  CLD01 2HMC s         0     CMC
CONNECT  CLD01 3HMC s         0     CMC
CONNECT  CLD01 1HAC s         0     CAC
CONNECT  CLD01  H2C s         0     C2C
CONNECT  CLD01 1HBC s         0     CBC
CONNECT  CLD01 2HBC s         0     CBC
CONNECT  CLD01 3HBC s         0     CBC
CONNECT  CLD01 2HAC s         0     CAC


#Group N D
CONNECT  CLD01  N D sp2       0    MG   0     C1D 0     C4D
CONNECT  CLD01  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  CLD01  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  CLD01  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  CLD01  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  CLD01  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  CLD01  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  CLD01  OBD s         0     CAD 
CONNECT  CLD01  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  CLD01  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  CLD01  O1D s         0     CGD 
CONNECT  CLD01  O2D sp2       0     CGD 0     CED
CONNECT  CLD01  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED

CONNECT  CLD01 1HMD s         0     CMD
CONNECT  CLD01 2HMD s         0     CMD
CONNECT  CLD01 3HMD s         0     CMD
CONNECT  CLD01  HBD s         0     CBD
CONNECT  CLD01 1HED s         0     CED
CONNECT  CLD01 2HED s         0     CED
CONNECT  CLD01 3HED s         0     CED


#CL05- ------------------------------------------------------------
CONNECT  CLD05 MG   ion       0     N A 0     N B 0     N C 0     N D
CONNECT  CLD05  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  CLD05  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  CLD05  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  CLD05  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  CLD05  HHB s         0     CHB
CONNECT  CLD05  HHC s         0     CHC
CONNECT  CLD05  HHD s         0     CHD

#Group N A
CONNECT  CLD05  N A sp2       0    MG   0     C1A 0     C4A
CONNECT  CLD05  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  CLD05  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  CLD05  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  CLD05  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  CLD05  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  CLD05  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  CLD05  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  CLD05  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  CLD05  O1A s         0     CGA 
CONNECT  CLD05  O2A sp3       0     CGA 0     C1 

CONNECT  CLD05 1HMA s         0     CMA
CONNECT  CLD05 2HMA s         0     CMA
CONNECT  CLD05 3HMA s         0     CMA
CONNECT  CLD05  H2A s         0     C2A
CONNECT  CLD05  H3A s         0     C3A
CONNECT  CLD05 1HAA s         0     CAA
CONNECT  CLD05 2HAA s         0     CAA
CONNECT  CLD05 1HBA s         0     CBA
CONNECT  CLD05 2HBA s         0     CBA

#Group N B
CONNECT  CLD05  N B sp2       0    MG   0     C1B 0     C4B
CONNECT  CLD05  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  CLD05  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  CLD05  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  CLD05  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  CLD05  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  CLD05  CAB sp2       0     C3B 0     CBB 0     HAB
CONNECT  CLD05  CBB sp2       0     CAB 0    1HBB 0    2HBB 
CONNECT  CLD05  HAB s         0     CAB

CONNECT  CLD05 1HMB s         0     CMB
CONNECT  CLD05 2HMB s         0     CMB
CONNECT  CLD05 3HMB s         0     CMB
CONNECT  CLD05 1HBB s         0     CBB
CONNECT  CLD05 2HBB s         0     CBB

CONNECT  CLD05 2HAC s         0     CAC

#Group N C
CONNECT  CLD05  N C sp2       0    MG   0     C1C 0     C4C
CONNECT  CLD05  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  CLD05  C2C sp3       0     C1C 0     CMC 0     C3C 0     H2C
CONNECT  CLD05  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  CLD05  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  CLD05  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  CLD05  CAC sp2       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  CLD05  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC

CONNECT  CLD05 1HMC s         0     CMC
CONNECT  CLD05 2HMC s         0     CMC
CONNECT  CLD05 3HMC s         0     CMC
CONNECT  CLD05 1HAC s         0     CAC
CONNECT  CLD05  H2C s         0     C2C
CONNECT  CLD05 1HBC s         0     CBC
CONNECT  CLD05 2HBC s         0     CBC
CONNECT  CLD05 3HBC s         0     CBC


#Group N D
CONNECT  CLD05  N D sp2       0    MG   0     C1D 0     C4D
CONNECT  CLD05  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  CLD05  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  CLD05  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  CLD05  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  CLD05  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  CLD05  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  CLD05  OBD s         0     CAD 
CONNECT  CLD05  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  CLD05  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  CLD05  O1D s         0     CGD 
CONNECT  CLD05  O2D sp2       0     CGD 0     CED
CONNECT  CLD05  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED

CONNECT  CLD05 1HMD s         0     CMD
CONNECT  CLD05 2HMD s         0     CMD
CONNECT  CLD05 3HMD s         0     CMD
CONNECT  CLD05  HBD s         0     CBD
CONNECT  CLD05 1HED s         0     CED
CONNECT  CLD05 2HED s         0     CED
CONNECT  CLD05 3HED s         0     CED



#CL10O----------------------------------------------------------------
CONNECT  CLD0O MG   ion       0     N A 0     N B 0     N C 0     N D
CONNECT  CLD0O  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  CLD0O  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  CLD0O  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  CLD0O  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  CLD0O  HHB s         0     CHB
CONNECT  CLD0O  HHC s         0     CHC
CONNECT  CLD0O  HHD s         0     CHD

#Group N A
CONNECT  CLD0O  N A sp2       0    MG   0     C1A 0     C4A
CONNECT  CLD0O  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  CLD0O  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  CLD0O  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  CLD0O  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  CLD0O  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  CLD0O  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  CLD0O  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  CLD0O  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  CLD0O  O1A s         0     CGA
CONNECT  CLD0O  O2A sp3       0     CGA 0     C1

CONNECT  CLD0O 1HMA s         0     CMA
CONNECT  CLD0O 2HMA s         0     CMA
CONNECT  CLD0O 3HMA s         0     CMA
CONNECT  CLD0O  H2A s         0     C2A
CONNECT  CLD0O  H3A s         0     C3A
CONNECT  CLD0O 1HAA s         0     CAA
CONNECT  CLD0O 2HAA s         0     CAA
CONNECT  CLD0O 1HBA s         0     CBA
CONNECT  CLD0O 2HBA s         0     CBA

#Group N B
CONNECT  CLD0O  N B sp2       0    MG   0     C1B 0     C4B
CONNECT  CLD0O  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  CLD0O  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  CLD0O  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  CLD0O  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  CLD0O  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  CLD0O  CAB sp2       0     C3B 0     CBB 0     HAB
CONNECT  CLD0O  CBB sp2       0     CAB 0    1HBB 0    2HBB
CONNECT  CLD0O  HAB s         0     CAB

CONNECT  CLD0O 1HMB s         0     CMB
CONNECT  CLD0O 2HMB s         0     CMB
CONNECT  CLD0O 3HMB s         0     CMB
CONNECT  CLD0O 1HBB s         0     CBB
CONNECT  CLD0O 2HBB s         0     CBB

#Group N C
CONNECT  CLD0O  N C sp2       0    MG   0     C1C 0     C4C
CONNECT  CLD0O  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  CLD0O  C2C sp3       0     C1C 0     CMC 0     C3C 0     H2C
CONNECT  CLD0O  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  CLD0O  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  CLD0O  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  CLD0O  CAC sp3       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  CLD0O  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC

CONNECT  CLD0O 1HMC s         0     CMC
CONNECT  CLD0O 2HMC s         0     CMC
CONNECT  CLD0O 3HMC s         0     CMC
CONNECT  CLD0O 1HAC s         0     CAC
CONNECT  CLD0O  H2C s         0     C2C
CONNECT  CLD0O 1HBC s         0     CBC
CONNECT  CLD0O 2HBC s         0     CBC
CONNECT  CLD0O 3HBC s         0     CBC
CONNECT  CLD0O 2HAC s         0     CAC

#Group N D
CONNECT  CLD0O  N D sp2       0    MG   0     C1D 0     C4D
CONNECT  CLD0O  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  CLD0O  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  CLD0O  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  CLD0O  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  CLD0O  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  CLD0O  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  CLD0O  OBD s         0     CAD
CONNECT  CLD0O  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  CLD0O  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  CLD0O  O1D s         0     CGD
CONNECT  CLD0O  O2D sp2       0     CGD 0     CED
CONNECT  CLD0O  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED

CONNECT  CLD0O 1HMD s         0     CMD
CONNECT  CLD0O 2HMD s         0     CMD
CONNECT  CLD0O 3HMD s         0     CMD
CONNECT  CLD0O  HBD s         0     CBD
CONNECT  CLD0O 1HED s         0     CED
CONNECT  CLD0O 2HED s         0     CED
CONNECT  CLD0O 3HED s         0     CED


#CL1+O ---------------------------------------------------------------
CONNECT  CLD+O MG   ion       0     N A 0     N B 0     N C 0     N D
CONNECT  CLD+O  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  CLD+O  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  CLD+O  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  CLD+O  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  CLD+O  HHB s         0     CHB
CONNECT  CLD+O  HHC s         0     CHC
CONNECT  CLD+O  HHD s         0     CHD

#Group N A
CONNECT  CLD+O  N A sp2       0    MG   0     C1A 0     C4A
CONNECT  CLD+O  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  CLD+O  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  CLD+O  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  CLD+O  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  CLD+O  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  CLD+O  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  CLD+O  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  CLD+O  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  CLD+O  O1A s         0     CGA
CONNECT  CLD+O  O2A sp3       0     CGA 0     C1

CONNECT  CLD+O 1HMA s         0     CMA
CONNECT  CLD+O 2HMA s         0     CMA
CONNECT  CLD+O 3HMA s         0     CMA
CONNECT  CLD+O  H2A s         0     C2A
CONNECT  CLD+O  H3A s         0     C3A
CONNECT  CLD+O 1HAA s         0     CAA
CONNECT  CLD+O 2HAA s         0     CAA
CONNECT  CLD+O 1HBA s         0     CBA
CONNECT  CLD+O 2HBA s         0     CBA

#Group N B
CONNECT  CLD+O  N B sp2       0    MG   0     C1B 0     C4B
CONNECT  CLD+O  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  CLD+O  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  CLD+O  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  CLD+O  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  CLD+O  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  CLD+O  CAB sp2       0     C3B 0     CBB 0     HAB
CONNECT  CLD+O  CBB sp2       0     CAB 0    1HBB 0    2HBB
CONNECT  CLD+O  HAB s         0     CAB

CONNECT  CLD+O 1HMB s         0     CMB
CONNECT  CLD+O 2HMB s         0     CMB
CONNECT  CLD+O 3HMB s         0     CMB
CONNECT  CLD+O 1HBB s         0     CBB
CONNECT  CLD+O 2HBB s         0     CBB
CONNECT  CLD+O 2HAC s         0     CAC

#Group N C
CONNECT  CLD+O  N C sp2       0    MG   0     C1C 0     C4C
CONNECT  CLD+O  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  CLD+O  C2C sp3       0     C1C 0     CMC 0     C3C 0     H2C
CONNECT  CLD+O  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  CLD+O  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  CLD+O  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  CLD+O  CAC sp2       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  CLD+O  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC

CONNECT  CLD+O 1HMC s         0     CMC
CONNECT  CLD+O 2HMC s         0     CMC
CONNECT  CLD+O 3HMC s         0     CMC
CONNECT  CLD+O 1HAC s         0     CAC
CONNECT  CLD+O  H2C s         0     C2C
CONNECT  CLD+O 1HBC s         0     CBC
CONNECT  CLD+O 2HBC s         0     CBC
CONNECT  CLD+O 3HBC s         0     CBC

#Group N D
CONNECT  CLD+O  N D sp2       0    MG   0     C1D 0     C4D
CONNECT  CLD+O  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  CLD+O  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  CLD+O  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  CLD+O  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  CLD+O  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  CLD+O  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  CLD+O  OBD s         0     CAD
CONNECT  CLD+O  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  CLD+O  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  CLD+O  O1D s         0     CGD
CONNECT  CLD+O  O2D sp2       0     CGD 0     CED
CONNECT  CLD+O  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED

CONNECT  CLD+O 1HMD s         0     CMD
CONNECT  CLD+O 2HMD s         0     CMD
CONNECT  CLD+O 3HMD s         0     CMD
CONNECT  CLD+O  HBD s         0     CBD
CONNECT  CLD+O 1HED s         0     CED
CONNECT  CLD+O 2HED s         0     CED
CONNECT  CLD+O 3HED s         0     CED

#CL1++----------------------------------------------------------------
CONNECT  CLD+1 MG   ion       0     N A 0     N B 0     N C 0     N D
CONNECT  CLD+1  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  CLD+1  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  CLD+1  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  CLD+1  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  CLD+1  HHB s         0     CHB
CONNECT  CLD+1  HHC s         0     CHC
CONNECT  CLD+1  HHD s         0     CHD
CONNECT  CLD+1  N A sp2       0    MG   0     C1A 0     C4A
CONNECT  CLD+1  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  CLD+1  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  CLD+1  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  CLD+1  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  CLD+1  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  CLD+1  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  CLD+1  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  CLD+1  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  CLD+1  O1A s         0     CGA
CONNECT  CLD+1  O2A sp3       0     CGA 0     C1
CONNECT  CLD+1 1HMA s         0     CMA
CONNECT  CLD+1 2HMA s         0     CMA
CONNECT  CLD+1 3HMA s         0     CMA
CONNECT  CLD+1  H2A s         0     C2A
CONNECT  CLD+1  H3A s         0     C3A
CONNECT  CLD+1 1HAA s         0     CAA
CONNECT  CLD+1 2HAA s         0     CAA
CONNECT  CLD+1 1HBA s         0     CBA
CONNECT  CLD+1 2HBA s         0     CBA
CONNECT  CLD+1  N B sp2       0    MG   0     C1B 0     C4B
CONNECT  CLD+1  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  CLD+1  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  CLD+1  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  CLD+1  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  CLD+1  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  CLD+1  CAB sp2       0     C3B 0     CBB 0     HAB
CONNECT  CLD+1  CBB sp2       0     CAB 0    1HBB 0    2HBB
CONNECT  CLD+1  HAB s         0     CAB
CONNECT  CLD+1 1HMB s         0     CMB
CONNECT  CLD+1 2HMB s         0     CMB
CONNECT  CLD+1 3HMB s         0     CMB
CONNECT  CLD+1 1HBB s         0     CBB
CONNECT  CLD+1 2HBB s         0     CBB
CONNECT  CLD+1 2HAC s         0     CAC
CONNECT  CLD+1  N C sp2       0    MG   0     C1C 0     C4C
CONNECT  CLD+1  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  CLD+1  C2C sp3       0     C1C 0     CMC 0     C3C 0     H2C
CONNECT  CLD+1  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  CLD+1  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  CLD+1  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  CLD+1  CAC sp2       0     C3C 0     CBC 0    1HAC 0    2HAC
CONNECT  CLD+1  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC
CONNECT  CLD+1 1HMC s         0     CMC
CONNECT  CLD+1 2HMC s         0     CMC
CONNECT  CLD+1 3HMC s         0     CMC
CONNECT  CLD+1 1HAC s         0     CAC
CONNECT  CLD+1  H2C s         0     C2C
CONNECT  CLD+1 1HBC s         0     CBC
CONNECT  CLD+1 2HBC s         0     CBC
CONNECT  CLD+1 3HBC s         0     CBC
CONNECT  CLD+1  N D sp2       0    MG   0     C1D 0     C4D
CONNECT  CLD+1  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  CLD+1  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  CLD+1  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  CLD+1  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  CLD+1  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  CLD+1  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  CLD+1  OBD s         0     CAD
CONNECT  CLD+1  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  CLD+1  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  CLD+1  O1D s         0     CGD
CONNECT  CLD+1  O2D sp2       0     CGD 0     CED
CONNECT  CLD+1  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED
CONNECT  CLD+1 1HMD s         0     CMD
CONNECT  CLD+1 2HMD s         0     CMD
CONNECT  CLD+1 3HMD s         0     CMD
CONNECT  CLD+1  HBD s         0     CBD
CONNECT  CLD+1 1HED s         0     CED
CONNECT  CLD+1 2HED s         0     CED
CONNECT  CLD+1 3HED s         0     CED

#3.Atom Parameters: Partial Charges and Radii
#23456789A123456789B123456789C
RADIUS   CLD   MG   1.45
RADIUS   CLD    N A 1.50
RADIUS   CLD    N B 1.50
RADIUS   CLD    N C 1.50
RADIUS   CLD    N D 1.50

RADIUS   CLD    C1  1.80
RADIUS   CLD    C2  1.80
RADIUS   CLD    C3  1.80 
RADIUS   CLD    C4  1.80
RADIUS   CLD    C5  1.80
RADIUS   CLD    CHA 1.80
RADIUS   CLD    CHB 1.80
RADIUS   CLD    CHC 1.80
RADIUS   CLD    CHD 1.80
RADIUS   CLD    C1A 1.80
RADIUS   CLD    C2A 1.80
RADIUS   CLD    C3A 1.80
RADIUS   CLD    C4A 1.80
RADIUS   CLD    CMA 1.80
RADIUS   CLD    CAA 1.80
RADIUS   CLD    CBA 1.80
RADIUS   CLD    CGA 1.80
RADIUS   CLD    C1B 1.80
RADIUS   CLD    C2B 1.80
RADIUS   CLD    C3B 1.80
RADIUS   CLD    C4B 1.80
RADIUS   CLD    CMB 1.80
RADIUS   CLD    CAB 1.80
RADIUS   CLD    CBB 1.80
RADIUS   CLD    C1C 1.80
RADIUS   CLD    C2C 1.80
RADIUS   CLD    C3C 1.80
RADIUS   CLD    C4C 1.80
RADIUS   CLD    CMC 1.80
RADIUS   CLD    CAC 1.80
RADIUS   CLD    CBC 1.80
RADIUS   CLD    C1D 1.80
RADIUS   CLD    C2D 1.80
RADIUS   CLD    C3D 1.80
RADIUS   CLD    C4D 1.80
RADIUS   CLD    CMD 1.80
RADIUS   CLD    CAD 1.80
RADIUS   CLD    CBD 1.80
RADIUS   CLD    CGD 1.80
RADIUS   CLD    CED 1.80

RADIUS   CLD    O1A 1.60
RADIUS   CLD    O2A 1.60
RADIUS   CLD    HAB 1.20
RADIUS   CLD    OBD 1.60
RADIUS   CLD    O1D 1.60
RADIUS   CLD    O2D 1.60

RADIUS   CLD    HHB 1.20
RADIUS   CLD    HHC 1.20
RADIUS   CLD    HHD 1.20
RADIUS   CLD   1HMA 1.20
RADIUS   CLD   2HMA 1.20
RADIUS   CLD   3HMA 1.20
RADIUS   CLD    H2A 1.20
RADIUS   CLD    H3A 1.20
RADIUS   CLD   1HAA 1.20
RADIUS   CLD   2HAA 1.20
RADIUS   CLD   1HBA 1.20
RADIUS   CLD   2HBA 1.20
RADIUS   CLD   1HMB 1.20
RADIUS   CLD   2HMB 1.20
RADIUS   CLD   3HMB 1.20
RADIUS   CLD   1HBB 1.20
RADIUS   CLD   2HBB 1.20
RADIUS   CLD   2HAC 1.20
RADIUS   CLD   1HMC 1.20
RADIUS   CLD   2HMC 1.20
RADIUS   CLD   3HMC 1.20
RADIUS   CLD   1HAC 1.20
RADIUS   CLD    H2C 1.20
RADIUS   CLD   1HBC 1.20
RADIUS   CLD   2HBC 1.20
RADIUS   CLD   3HBC 1.20
RADIUS   CLD   1HMD 1.20
RADIUS   CLD   2HMD 1.20
RADIUS   CLD   3HMD 1.20
RADIUS   CLD    HBD 1.20
RADIUS   CLD   1HED 1.20
RADIUS   CLD   2HED 1.20
RADIUS   CLD   3HED 1.20

#23456789A123456789B123456789C
#Backbone------------------
CHARGE   CLDBK  C1    0.000
CHARGE   CLDBK  C2    0.000
CHARGE   CLDBK  C3    0.000 
CHARGE   CLDBK  C4    0.000
CHARGE   CLDBK  C5    0.000
CHARGE   CLDBK  C6    0.000   
CHARGE   CLDBK  C7    0.000   
CHARGE   CLDBK  C8    0.000   
CHARGE   CLDBK  C9    0.000   
CHARGE   CLDBK  C10   0.000   
CHARGE   CLDBK  C11   0.000   
CHARGE   CLDBK  C12   0.000   
CHARGE   CLDBK  C13   0.000   
CHARGE   CLDBK  C14   0.000   
CHARGE   CLDBK  C15   0.000   
CHARGE   CLDBK  C16   0.000   
CHARGE   CLDBK  C17   0.000   
CHARGE   CLDBK  C18   0.000   
CHARGE   CLDBK  C19   0.000   
CHARGE   CLDBK  C20   0.000   

# From CLD 

#CLD0O---------------------
CHARGE   CLD0O  CHB  -0.016
CHARGE   CLD0O  HHB   0.000
CHARGE   CLD0O  C1B  -0.008
CHARGE   CLD0O  C2B  -0.041
CHARGE   CLD0O  CMB  -0.291
CHARGE   CLD0O 1HMB   0.097
CHARGE   CLD0O 2HMB   0.097
CHARGE   CLD0O 3HMB   0.097
CHARGE   CLD0O  C3B  -0.044
CHARGE   CLD0O  CAB   0.220
CHARGE   CLD0O  CBB  -0.291
CHARGE   CLD0O 1HBB   0.146
CHARGE   CLD0O 2HBB   0.145
CHARGE   CLD0O  HAB  -0.287
CHARGE   CLD0O  C4B  -0.019
CHARGE   CLD0O  N B  -0.208
CHARGE   CLD0O  CHC   0.017
CHARGE   CLD0O  HHC   0.000
CHARGE   CLD0O  C1C  -0.024
CHARGE   CLD0O  C2C  -0.000
CHARGE   CLD0O  CMC  -0.291
CHARGE   CLD0O 1HMC   0.097
CHARGE   CLD0O 2HMC   0.097
CHARGE   CLD0O 3HMC   0.097
CHARGE   CLD0O  C3C   0.000
CHARGE   CLD0O  CAC  -0.097
CHARGE   CLD0O 1HAC   0.049
CHARGE   CLD0O 2HAC   0.048
CHARGE   CLD0O  CBC  -0.291
CHARGE   CLD0O 1HBC   0.097
CHARGE   CLD0O 2HBC   0.097
CHARGE   CLD0O 3HBC   0.097
CHARGE   CLD0O  C4C  -0.023
CHARGE   CLD0O  N C  -0.054
CHARGE   CLD0O  CHD   0.010
CHARGE   CLD0O  HHD   0.000
CHARGE   CLD0O  C1D  -0.008
CHARGE   CLD0O  C2D  -0.009
CHARGE   CLD0O  CMD  -0.291
CHARGE   CLD0O 1HMD   0.097
CHARGE   CLD0O 2HMD   0.097
CHARGE   CLD0O 3HMD   0.097
CHARGE   CLD0O  C3D  -0.047
CHARGE   CLD0O  CAD   0.213
CHARGE   CLD0O  OBD  -0.269
CHARGE   CLD0O  CBD  -0.097
CHARGE   CLD0O  HBD   0.097
CHARGE   CLD0O  CGD   0.700
CHARGE   CLD0O  O1D  -0.350
CHARGE   CLD0O  O2D  -0.350
CHARGE   CLD0O  CED  -0.291
CHARGE   CLD0O 1HED   0.097
CHARGE   CLD0O 2HED   0.097
CHARGE   CLD0O 3HED   0.097
CHARGE   CLD0O  C4D   0.007
CHARGE   CLD0O  N D  -0.224
CHARGE   CLD0O  CHA  -0.072
CHARGE   CLD0O  C1A   0.008
CHARGE   CLD0O  C2A  -0.097
CHARGE   CLD0O  H2A   0.097
CHARGE   CLD0O  CAA  -0.194
CHARGE   CLD0O 1HAA   0.097
CHARGE   CLD0O 2HAA   0.097
CHARGE   CLD0O  CBA  -0.194
CHARGE   CLD0O 1HBA   0.097
CHARGE   CLD0O 2HBA   0.097
CHARGE   CLD0O  CGA   0.700
CHARGE   CLD0O  O1A  -0.350
CHARGE   CLD0O  O2A  -0.350
CHARGE   CLD0O  C3A  -0.097
CHARGE   CLD0O  H3A   0.097
CHARGE   CLD0O  CMA  -0.291
CHARGE   CLD0O 1HMA   0.097
CHARGE   CLD0O 2HMA   0.097
CHARGE   CLD0O 3HMA   0.097
CHARGE   CLD0O  C4A  -0.022
CHARGE   CLD0O  N A  -0.101
CHARGE   CLD0O MG     1.001

#CLD+O --------------------
CHARGE   CLD+O  CHB   0.010
CHARGE   CLD+O  HHB   0.000
CHARGE   CLD+O  C1B   0.039
CHARGE   CLD+O  C2B   0.000
CHARGE   CLD+O  CMB  -0.145
CHARGE   CLD+O 1HMB   0.048
CHARGE   CLD+O 2HMB   0.048
CHARGE   CLD+O 3HMB   0.048
CHARGE   CLD+O  C3B  -0.006
CHARGE   CLD+O  CAB   0.110
CHARGE   CLD+O  CBB  -0.146
CHARGE   CLD+O 1HBB   0.072
CHARGE   CLD+O 2HBB   0.072
CHARGE   CLD+O  HAB  -0.138
CHARGE   CLD+O  C4B   0.050
CHARGE   CLD+O  N B  -0.099
CHARGE   CLD+O  CHC   0.007
CHARGE   CLD+O  HHC   0.000
CHARGE   CLD+O  C1C   0.026
CHARGE   CLD+O  C2C  -0.000
CHARGE   CLD+O  CMC  -0.145
CHARGE   CLD+O 1HMC   0.048
CHARGE   CLD+O 2HMC   0.048
CHARGE   CLD+O 3HMC   0.048
CHARGE   CLD+O  C3C   0.000
CHARGE   CLD+O  CAC  -0.048
CHARGE   CLD+O 1HAC   0.024
CHARGE   CLD+O 2HAC   0.024
CHARGE   CLD+O  CBC  -0.146
CHARGE   CLD+O 1HBC   0.048
CHARGE   CLD+O 2HBC   0.048
CHARGE   CLD+O 3HBC   0.048
CHARGE   CLD+O  C4C   0.049
CHARGE   CLD+O  N C  -0.020
CHARGE   CLD+O  CHD   0.020
CHARGE   CLD+O  HHD   0.000
CHARGE   CLD+O  C1D   0.031
CHARGE   CLD+O  C2D   0.013
CHARGE   CLD+O  CMD  -0.145
CHARGE   CLD+O 1HMD   0.048
CHARGE   CLD+O 2HMD   0.049
CHARGE   CLD+O 3HMD   0.048
CHARGE   CLD+O  C3D  -0.013
CHARGE   CLD+O  CAD   0.106
CHARGE   CLD+O  OBD  -0.131
CHARGE   CLD+O  CBD  -0.048
CHARGE   CLD+O  HBD   0.049
CHARGE   CLD+O  CGD   0.350
CHARGE   CLD+O  O1D  -0.175
CHARGE   CLD+O  O2D  -0.175
CHARGE   CLD+O  CED  -0.145
CHARGE   CLD+O 1HED   0.048
CHARGE   CLD+O 2HED   0.049
CHARGE   CLD+O 3HED   0.048
CHARGE   CLD+O  C4D   0.050
CHARGE   CLD+O  N D  -0.106
CHARGE   CLD+O  CHA  -0.033
CHARGE   CLD+O  C1A   0.032
CHARGE   CLD+O  C2A  -0.048
CHARGE   CLD+O  H2A   0.049
CHARGE   CLD+O  CAA  -0.097
CHARGE   CLD+O 1HAA   0.048
CHARGE   CLD+O 2HAA   0.049
CHARGE   CLD+O  CBA  -0.097
CHARGE   CLD+O 1HBA   0.048
CHARGE   CLD+O 2HBA   0.049
CHARGE   CLD+O  CGA   0.350
CHARGE   CLD+O  O1A  -0.175
CHARGE   CLD+O  O2A  -0.175
CHARGE   CLD+O  C3A  -0.048
CHARGE   CLD+O  H3A   0.049
CHARGE   CLD+O  CMA  -0.145
CHARGE   CLD+O 1HMA   0.049
CHARGE   CLD+O 2HMA   0.048
CHARGE   CLD+O 3HMA   0.049
CHARGE   CLD+O  C4A   0.043
CHARGE   CLD+O  N A  -0.040
CHARGE   CLD+O MG     0.502


CHARGE   CLD01 MG        1.117839
CHARGE   CLD01  CHA     -0.200843
CHARGE   CLD01  CHB     -0.61598
CHARGE   CLD01  CHC     -0.40559
CHARGE   CLD01  CHD     -0.197339
CHARGE   CLD01  N A     -0.51374
CHARGE   CLD01  C1A     0.069904
CHARGE   CLD01  C2A     0.175959
CHARGE   CLD01  C3A     0.071622
CHARGE   CLD01  C4A     0.461311
CHARGE   CLD01  CMA     -0.05826
CHARGE   CLD01  CAA     0.4298
CHARGE   CLD01  CBA     -0.580063
CHARGE   CLD01  CGA     1.046816
CHARGE   CLD01  O1A     -0.704275
CHARGE   CLD01  O2A     -0.202541
CHARGE   CLD01  N B     -0.735849
CHARGE   CLD01  C1B     0.537974
CHARGE   CLD01  C2B     -0.152201
CHARGE   CLD01  C3B     0.023165
CHARGE   CLD01  C4B     0.315096
CHARGE   CLD01  CMB     0.061685
CHARGE   CLD01  CAB     0.009739
CHARGE   CLD01  CBB     -0.294856
CHARGE   CLD01  N C     -0.618501
CHARGE   CLD01  C1C     0.429336
CHARGE   CLD01  C2C     -0.079378
CHARGE   CLD01  C3C     -0.159908
CHARGE   CLD01  C4C     0.216531
CHARGE   CLD01  CMC     -0.009407
CHARGE   CLD01  CAC     0.112211
CHARGE   CLD01  CBC     0.151429
CHARGE   CLD01  C1D     0.125388
CHARGE   CLD01  C2D     -0.086599
CHARGE   CLD01  C3D     -0.095167
CHARGE   CLD01  C4D     0.11488
CHARGE   CLD01  CMD     0.072241
CHARGE   CLD01  CAD     0.591089
CHARGE   CLD01  OBD     -0.60815
CHARGE   CLD01  CBD     -0.068457
CHARGE   CLD01  CGD     0.792918
CHARGE   CLD01  O1D     -0.649964
CHARGE   CLD01  O2D     -0.240408
CHARGE   CLD01  CED     -0.100002
CHARGE   CLD01  HHB     0.15875
CHARGE   CLD01  HHC     0.127784
CHARGE   CLD01  HHD     0.223028
CHARGE   CLD01  H2A     0.007361
CHARGE   CLD01  H3A     0.016524
CHARGE   CLD01 1HMA     0.001208
CHARGE   CLD01 2HMA     -0.004264
CHARGE   CLD01 3HMA     0.013712
CHARGE   CLD01 1HAA     -0.21834
CHARGE   CLD01 2HAA     -0.108466
CHARGE   CLD01 1HBA     0.127083
CHARGE   CLD01 2HBA     0.119642
CHARGE   CLD01 1HMB     0.00443
CHARGE   CLD01 2HMB     0.014844
CHARGE   CLD01 3HMB     -0.000674
CHARGE   CLD01  HAB     0.0742
CHARGE   CLD01 1HBB     0.110072
CHARGE   CLD01 2HBB     0.130312
CHARGE   CLD01 1HMC     0.058947
CHARGE   CLD01 2HMC     0.003227
CHARGE   CLD01 3HMC     0.006884
CHARGE   CLD01 1HAC     -0.010133
CHARGE   CLD01 2HAC     -0.040989
CHARGE   CLD01 1HBC     -0.029726
CHARGE   CLD01 2HBC     -0.042167
CHARGE   CLD01 3HBC     -0.082212
CHARGE   CLD01 1HMD     -0.034378
CHARGE   CLD01 2HMD     0.015787
CHARGE   CLD01 3HMD     0.027274
CHARGE   CLD01  HBD     0.01522
CHARGE   CLD01 1HED     0.114587
CHARGE   CLD01 2HED     0.083783
CHARGE   CLD01 3HED     0.096064
CHARGE   CLD01  N D     -0.530827
     
     
CHARGE   CLD05 MG        1.133369
CHARGE   CLD05  CHA      -0.2532925
CHARGE   CLD05  CHB      -0.6222715
CHARGE   CLD05  CHC      -0.343241
CHARGE   CLD05  CHD      -0.2380585
CHARGE   CLD05  N A      -0.561429
CHARGE   CLD05  C1A      0.158633
CHARGE   CLD05  C2A      0.15446
CHARGE   CLD05  C3A       0.042025
CHARGE   CLD05  C4A       0.504028
CHARGE   CLD05  CMA      -0.059458
CHARGE   CLD05  CAA      0.448185
CHARGE   CLD05  CBA      -0.565934
CHARGE   CLD05  CGA      1.033685
CHARGE   CLD05  O1A      -0.6923905
CHARGE   CLD05  O2A      -0.1969175
CHARGE   CLD05  N B      -0.7509825
CHARGE   CLD05  C1B      0.54756
CHARGE   CLD05  C2B      -0.1154095
CHARGE   CLD05  C3B      0.0174805
CHARGE   CLD05  C4B      0.307768
CHARGE   CLD05  CMB      0.037531
CHARGE   CLD05  CAB      -0.0093725
CHARGE   CLD05  CBB      -0.285444
CHARGE   CLD05  N C      -0.608783
CHARGE   CLD05  C1C      0.416013
CHARGE   CLD05  C2C      -0.0345125
CHARGE   CLD05  C3C      -0.202229
CHARGE   CLD05  C4C      0.313834
CHARGE   CLD05  CMC      -0.0396495
CHARGE   CLD05  CAC      0.1113725
CHARGE   CLD05  CBC      0.127091
CHARGE   CLD05  C1D      0.227103
CHARGE   CLD05  C2D      -0.049861
CHARGE   CLD05  C3D      -0.105236
CHARGE   CLD05  C4D      0.190667
CHARGE   CLD05  CMD      0.034428
CHARGE   CLD05  CAD      0.5756285
CHARGE   CLD05  OBD      -0.5616145
CHARGE   CLD05  CBD      -0.0298935
CHARGE   CLD05  CGD      0.7656245
CHARGE   CLD05  O1D      -0.633963
CHARGE   CLD05  O2D      -0.2385505
CHARGE   CLD05  CED      -0.103933
CHARGE   CLD05  HHB      0.162253
CHARGE   CLD05  HHC      0.121194
CHARGE   CLD05  HHD      0.221492
CHARGE   CLD05  H2A      0.0174725
CHARGE   CLD05  H3A      0.029855
CHARGE   CLD05 1HMA      0.005203
CHARGE   CLD05 2HMA      -0.0018885
CHARGE   CLD05 3HMA      0.027528
CHARGE   CLD05 1HAA      -0.2234785
CHARGE   CLD05 2HAA      -0.1118905
CHARGE   CLD05 1HBA      0.130266
CHARGE   CLD05 2HBA      0.1161995
CHARGE   CLD05 1HMB      0.0178045
CHARGE   CLD05 2HMB      0.0219675
CHARGE   CLD05 3HMB      0.009148
CHARGE   CLD05  HAB      0.080985
CHARGE   CLD05 1HBB      0.112174
CHARGE   CLD05 2HBB      0.137758
CHARGE   CLD05 1HMC      0.075321
CHARGE   CLD05 2HMC      0.0193495
CHARGE   CLD05 3HMC      0.0225075
CHARGE   CLD05 1HAC      -0.001849
CHARGE   CLD05 2HAC      -0.034941
CHARGE   CLD05 1HBC      -0.013069
CHARGE   CLD05 2HBC      -0.0321785
CHARGE   CLD05 3HBC      -0.0756185
CHARGE   CLD05 1HMD      -0.0145395
CHARGE   CLD05 2HMD      0.037981
CHARGE   CLD05 3HMD      0.047846
CHARGE   CLD05  HBD      0.014579
CHARGE   CLD05 1HED      0.1196855
CHARGE   CLD05 2HED      0.088571
CHARGE   CLD05 3HED      0.103616
CHARGE   CLD05  N D      -0.577362

CHARGE   CLD+1  MG       1.150899
CHARGE   CLD+1  CHA      -0.305742
CHARGE   CLD+1  CHB      -0.628563
CHARGE   CLD+1  CHC      -0.280892
CHARGE   CLD+1  CHD      -0.278778
CHARGE   CLD+1  N A      -0.609118
CHARGE   CLD+1  C1A      0.247362
CHARGE   CLD+1  C2A      0.132961
CHARGE   CLD+1  C3A      0.012428
CHARGE   CLD+1  C4A      0.546745
CHARGE   CLD+1  CMA      -0.060656
CHARGE   CLD+1  CAA      0.46657
CHARGE   CLD+1  CBA      -0.551805
CHARGE   CLD+1  CGA      1.020554
CHARGE   CLD+1  O1A      -0.680506
CHARGE   CLD+1  O2A      -0.191294
CHARGE   CLD+1  N B      -0.766116
CHARGE   CLD+1  C1B      0.557146
CHARGE   CLD+1  C2B      -0.078618
CHARGE   CLD+1  C3B      0.011796
CHARGE   CLD+1  C4B      0.30044
CHARGE   CLD+1  CMB      0.013377
CHARGE   CLD+1  CAB      -0.028484
CHARGE   CLD+1  CBB      -0.276032
CHARGE   CLD+1  N C      -0.599065
CHARGE   CLD+1  C1C      0.40269
CHARGE   CLD+1  C2C      0.010353
CHARGE   CLD+1  C3C      -0.24455
CHARGE   CLD+1  C4C      0.411137
CHARGE   CLD+1  CMC      -0.069892
CHARGE   CLD+1  CAC      0.110534
CHARGE   CLD+1  CBC      0.102753
CHARGE   CLD+1  C1D      0.328818
CHARGE   CLD+1  C2D      -0.013123
CHARGE   CLD+1  C3D      -0.115305
CHARGE   CLD+1  C4D      0.266454
CHARGE   CLD+1  CMD      -0.003385
CHARGE   CLD+1  CAD      0.560168
CHARGE   CLD+1  OBD      -0.515079
CHARGE   CLD+1  CBD      0.00867
CHARGE   CLD+1  CGD      0.738331
CHARGE   CLD+1  O1D      -0.617962
CHARGE   CLD+1  O2D      -0.236693
CHARGE   CLD+1  CED      -0.107864
CHARGE   CLD+1  HHB      0.165756
CHARGE   CLD+1  HHC      0.114604
CHARGE   CLD+1  HHD      0.219956
CHARGE   CLD+1  H2A      0.027584
CHARGE   CLD+1  H3A      0.043186
CHARGE   CLD+1  1HMA      0.009198
CHARGE   CLD+1  2HMA      0.000487
CHARGE   CLD+1  3HMA      0.041344
CHARGE   CLD+1  1HAA      -0.228617
CHARGE   CLD+1  2HAA      -0.115315
CHARGE   CLD+1  1HBA      0.133449
CHARGE   CLD+1  2HBA      0.112757
CHARGE   CLD+1  1HMB      0.031179
CHARGE   CLD+1  2HMB      0.029091
CHARGE   CLD+1  3HMB      0.01897
CHARGE   CLD+1  HAB       0.08777
CHARGE   CLD+1  1HBB      0.114276
CHARGE   CLD+1  2HBB      0.145204
CHARGE   CLD+1  1HMC      0.091695
CHARGE   CLD+1  2HMC      0.035472
CHARGE   CLD+1  3HMC      0.038131
CHARGE   CLD+1  1HAC      0.006435
CHARGE   CLD+1  2HAC      -0.028893
CHARGE   CLD+1  1HBC      0.003588
CHARGE   CLD+1  2HBC      -0.02219
CHARGE   CLD+1  3HBC      -0.069025
CHARGE   CLD+1  1HMD      0.005299
CHARGE   CLD+1  2HMD      0.060175
CHARGE   CLD+1  3HMD      0.068418
CHARGE   CLD+1  HBD       0.013938
CHARGE   CLD+1  1HED      0.124784
CHARGE   CLD+1  2HED      0.093359
CHARGE   CLD+1  3HED      0.111168
CHARGE   CLD+1  N D       -0.623897

#TORSION  CLD01 1HMA  CMA  C3A  C2A  f        0.0         1      0.00
#TORSION  CLD01 1HMB  CMB  C2B  C1B  f        0.0         1      0.00
#TORSION  CLD01 1HBB  CBB  CAB  C3B  f        0.0         1    180.00
#TORSION  CLD01 1HMC  CMC  C2C  C1C  f        0.0         1      0.00
#TORSION  CLD01 1HBC  CBC  CAC  C3C  f        0.0         1      0.00
#TORSION  CLD01 1HMD  CMD  C2D  C1D  f        0.0         1      0.00
#TORSION  CLD01 1HED  CED  O2D  CGD  f        0.0         1      0.00
#TORSION  CLD05 1HMA  CMA  C3A  C2A  f        0.0         1      0.00
#TORSION  CLD05 1HMB  CMB  C2B  C1B  f        0.0         1      0.00
#TORSION  CLD05 1HBB  CBB  CAB  C3B  f        0.0         1    180.00
#TORSION  CLD05 1HMC  CMC  C2C  C1C  f        0.0         1      0.00
#TORSION  CLD05 1HBC  CBC  CAC  C3C  f        0.0         1      0.00
#TORSION  CLD05 1HMD  CMD  C2D  C1D  f        0.0         1      0.00
#TORSION  CLD05 1HED  CED  O2D  CGD  f        0.0         1      0.00
#TORSION  CLD0O 1HMA  CMA  C3A  C2A  f        0.0         1      0.00
#TORSION  CLD0O 1HMB  CMB  C2B  C1B  f        0.0         1      0.00
#TORSION  CLD0O 1HBB  CBB  CAB  C3B  f        0.0         1    180.00
#TORSION  CLD0O 1HMC  CMC  C2C  C1C  f        0.0         1      0.00
#TORSION  CLD0O 1HBC  CBC  CAC  C3C  f        0.0         1      0.00
#TORSION  CLD0O 1HMD  CMD  C2D  C1D  f        0.0         1      0.00
#TORSION  CLD0O 1HED  CED  O2D  CGD  f        0.0         1      0.00
#TORSION  CLD+O 1HMA  CMA  C3A  C2A  f        0.0         1      0.00
#TORSION  CLD+O 1HMB  CMB  C2B  C1B  f        0.0         1      0.00
#TORSION  CLD+O 1HBB  CBB  CAB  C3B  f        0.0         1    180.00
#TORSION  CLD+O 1HMC  CMC  C2C  C1C  f        0.0         1      0.00
#TORSION  CLD+O 1HBC  CBC  CAC  C3C  f        0.0         1      0.00
#TORSION  CLD+O 1HMD  CMD  C2D  C1D  f        0.0         1      0.00
#TORSION  CLD+O 1HED  CED  O2D  CGD  f        0.0         1      0.00
#TORSION  CLD+1 1HMA  CMA  C3A  C2A  f        0.0         1      0.00
#TORSION  CLD+1 1HMB  CMB  C2B  C1B  f        0.0         1      0.00
#TORSION  CLD+1 1HBB  CBB  CAB  C3B  f        0.0         1    180.00
#TORSION  CLD+1 1HMC  CMC  C2C  C1C  f        0.0         1      0.00
#TORSION  CLD+1 1HBC  CBC  CAC  C3C  f        0.0         1      0.00
#TORSION  CLD+1 1HMD  CMD  C2D  C1D  f        0.0         1      0.00
